SCHEMBL7758020

SCHEMBL7758020

Cc1ncccc1Oc1c[c]ncn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HTR2C P28335 9/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
TGFBR1 P36897 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
HTR2B P41595 1/20 0.34
CHRNB1 P11230 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8176365 0.81 SMN1; SMN2 (0.53) MAP4K4
SCHEMBL8129781 0.76 MAP4K4 (0.44) MAP4K4ADORA2AADORA1HTR2CCHRNB2
SCHEMBL6545410 0.75 ADORA2A (0.50) MAP4K4ADORA2AADORA1CHRNB2CHRNA4
SCHEMBL8062064 0.74 ALDH1A1 (0.47) MAP4K4
SCHEMBL8059604 0.74 MEN1 (0.47) MAP4K4
SCHEMBL7759307 0.73 KDM4E (0.40) MAP4K4
SCHEMBL8125699 0.72 MAP4K4 (0.43) MAP4K4ADORA2AADORA1HTR2CCHRNB2
SCHEMBL7759131 0.70 LMNA (0.47) MAP4K4CHRNB2CHRNA4
SCHEMBL5361562 0.70 MAP4K4 (0.44) MAP4K4ADORA2AADORA1HTR2CCHRNB2
SCHEMBL6773239 0.69 SMN1; SMN2 (0.47) MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0873305-B1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AG (DE) 2001-03-28 EP disclosed
EP-0873307-B1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AG (DE) 2000-05-31 EP disclosed
US-6063813-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed